Chemical ID: 4059819

c1ccc(cc1)N2CCN(CC2)C(=O)Nc3c(cccc3F)F
Chemical ID:
4059819
Name [?]:
4-phenyl-N,N-bis(4-phenylpiperazin-6-yl)-piperazine-1-carboxamide
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)C(=O)Nc3c(cccc3F)F
InChi [?]:
InChI=1/C17H17F2N3O/c18-14-7-4-8-15(19)16(14)20-17(23)22-11-9-21(10-12-22)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,3,5,18,20,8,12,9,11,4,17,21,16,13,23,22,15,7,10,14/E:(2,3)(5,6)(7,8)(9,10)(11,12)(14,15)(18,19)/rA:23nCCCCCCNCCNCCCONCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17F2N3O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.76893
Area:487.478
Solvation:-4.41803
Coulombic:-44.3964
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:317.333
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.19
LogP (Chemaxon):2.53

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